1-[2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one

C16H24N4O2S — CID 8005489

IUPAC1-[2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one
SMILESCc1nc(SCC(=O)N2CCNC2=O)n(C2CCCCC2)c1C
InChIInChI=1S/C16H24N4O2S/c1-11-12(2)20(13-6-4-3-5-7-13)16(18-11)23-10-14(21)19-9-8-17-15(19)22/h13H,3-10H2,1-2H3,(H,17,22)
InChIKeyZFHXDFWTKKIDIT-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.65
Rot. Bonds4

About 1-[2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one

1-[2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one (PubChem CID 8005489) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-[2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one
PubChem CID8005489
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name1-[2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one
SMILESCc1nc(SCC(=O)N2CCNC2=O)n(C2CCCCC2)c1C
InChIInChI=1S/C16H24N4O2S/c1-11-12(2)20(13-6-4-3-5-7-13)16(18-11)23-10-14(21)19-9-8-17-15(19)22/h13H,3-10H2,1-2H3,(H,17,22)
InChIKeyZFHXDFWTKKIDIT-UHFFFAOYSA-N
XLogP2.65
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one (CID 8005489) is 1-[2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one is Cc1nc(SCC(=O)N2CCNC2=O)n(C2CCCCC2)c1C.
What is the InChIKey of 1-[2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one?
The InChIKey is ZFHXDFWTKKIDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-11-12(2)20(13-6-4-3-5-7-13)16(18-11)23-10-14(21)19-9-8-17-15(19)22/h13H,3-10H2,1-2H3,(H,17,22).
What are the key properties of 1-[2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one?
1-[2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one has a molecular weight of 336.46 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]imidazolidin-2-one is sourced from PubChem (CID 8005489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).